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18968-38-2 | 3-Benzofuranol, 5-bromo-2,3-dihydro-2-(1-methylethyl)-, cis- (9CI)
CAS No: 18968-38-2 Catalog No: AG002DVW MDL No:
Product Description
Catalog Number:
AG002DVW
Chemical Name:
3-Benzofuranol, 5-bromo-2,3-dihydro-2-(1-methylethyl)-, cis- (9CI)
CAS Number:
18968-38-2
Molecular Formula:
C11H13BrO2
Molecular Weight:
257.1237
IUPAC Name:
5-bromo-2-propan-2-yl-2,3-dihydro-1-benzofuran-3-ol
InChI:
InChI=1S/C11H13BrO2/c1-6(2)11-10(13)8-5-7(12)3-4-9(8)14-11/h3-6,10-11,13H,1-2H3
InChI Key:
XNZXIRFETYHKIK-UHFFFAOYSA-N
SMILES:
CC([C@@H]1Oc2c([C@@H]1O)cc(cc2)Br)C
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.127g/mol
Monoisotopic Mass:
256.01g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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